2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid

C15H17N3O4 — CID 119189506

IUPAC2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O4/c1-22-8-7-17(11-14(19)20)15(21)12-9-16-18(10-12)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)
InChIKeySQDCKAZYXPAXBL-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.05
Rot. Bonds7

About 2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid

2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 119189506) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID119189506
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O4/c1-22-8-7-17(11-14(19)20)15(21)12-9-16-18(10-12)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)
InChIKeySQDCKAZYXPAXBL-UHFFFAOYSA-N
XLogP1.05
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 61348348
ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
CID 78901864
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N-(2-chloroethyl)-1-phenyl-N-propylpyrazole-4-carboxamide
CID 63393118
N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 115771673
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189809
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
N-(2-methoxyethyl)-4-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 55981418

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid (CID 119189506) is 2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is SQDCKAZYXPAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-8-7-17(11-14(19)20)15(21)12-9-16-18(10-12)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,20).
What are the key properties of 2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid?
2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 303.32 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119189506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).